SCHEMBL27615259

SCHEMBL27615259

CCOC(=O)CCC(CP(=O)(O)O)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.48
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
PTPN1 P18031 1/20 0.37
PPID Q08752 1/20 0.36
FOLH1 Q04609 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TOP2A P11388 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP1 P03956 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27615261 0.83 SMN1; SMN2 (0.42) SMN1; SMN2POLBALDH1A1TSHRFOLH1
SCHEMBL17504759 0.74 HSD17B10 (0.53) SMN1; SMN2POLBALDH1A1FOLH1L3MBTL1
SCHEMBL17504782 0.73 L3MBTL1 (0.46) SMN1; SMN2POLBCYP3A4CYP2D6CYP2C19
SCHEMBL7316396 0.72 MME (0.53) POLBCYP3A4CYP2D6CYP2C19
SCHEMBL27615256 0.71 CYP3A4 (0.50) SMN1; SMN2POLBCYP3A4CYP2D6CYP2C19
SCHEMBL10790828 0.71 MME (0.52) POLBCYP3A4CYP2D6CYP2C19
SCHEMBL17504784 0.70 FOLH1 (0.50) CYP3A4CYP2D6CYP2C19ALDH1A1FOLH1
SCHEMBL7365620 0.69 LTA4H (0.42) SMN1; SMN2POLBTOP2AL3MBTL1
SCHEMBL13865454 0.69 PPID (0.55) SMN1; SMN2POLBALDH1A1PPIDKDM4E
SCHEMBL2278045 0.68 GAA (0.53) SMN1; SMN2POLBALDH1A1TSHRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1705674-A phosphinic acid analogs of glutamic acid GIVAUDAN SA (CH) 2005-12-07 CN disclosed